(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H22ClNO5/c1-14-5-10-19-17(12-21(27)30-22(19)15(14)2)13-29-20(26)4-3-11-25-23(28)16-6-8-18(24)9-7-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,25,28)